but-2-ynyl 2-(3-chloranyl-4-propan-2-yloxy-phenyl)-3-methyl-butanoate

Systemtic Name: but-2-ynyl 2-(3-chloranyl-4-propan-2-yloxy-phenyl)-3-methyl-butanoate Openeye Name: but-2-ynyl 2-(3-chloro-4-isopropoxy-phenyl)-3-methyl-butanoate CAS Name: 2-(3-chloro-4-propan-2-yloxyphenyl)-3-methylbutanoic acid but-2-ynyl ester IUPAC Name: but-2-ynyl 2-(3-chloro-4-propan-2-yloxyphenyl)-3-methylbutanoate Traditional Name: 2-(3-chloro-4-isopropoxy-phenyl)-3-methyl-butyric acid but-2-ynyl ester Formula: C18H23ClO3 MolecularWeight: 322.82642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(=O)C(C1=CC(=C(C=C1)OC(C)C)Cl)C(C)C

Isomeric SMILES

CC#CCOC(=O)C(C1=CC(=C(C=C1)OC(C)C)Cl)C(C)C

InChI

InChI=1S/C18H23ClO3/c1-6-7-10-21-18(20)17(12(2)3)14-8-9-16(15(19)11-14)22-13(4)5/h8-9,11-13,17H,10H2,1-5H3